SCHEMBL5077342

SCHEMBL5077342

NC(=O)c1cccn2cc(-c3cccc(Cl)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
PARP1 P09874 3/20 0.47
NR4A2 P43354 1/20 0.46
DYRK1A Q13627 3/20 0.46
CLK1 P49759 2/20 0.46
ALDH1A3 P47895 3/20 0.46
IKBKB O14920 2/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45
CHUK O15111 1/20 0.45
ALDH1A2 O94788 2/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5074229 0.86 DHODH (0.67) DHODHPARP1NR4A2DYRK1ACLK1
SCHEMBL5074013 0.86 DHODH (0.56) DHODHPARP1DYRK1ACLK1ALDH1A3
SCHEMBL5074240 0.85 DHODH (0.55) DHODHPARP1DYRK1ACLK1ALDH1A3
SCHEMBL5076347 0.85 DHODH (0.55) DHODHPARP1DYRK1ACLK1ALDH1A3
SCHEMBL5071964 0.84 DHODH (0.76) DHODHPARP1DYRK1ACLK1ALDH1A3
SCHEMBL1419740 0.82 DHODH (0.52) DHODHPARP1DYRK1ACLK1KDM4E
SCHEMBL5071971 0.82 ALDH1A3 (0.59) DHODHPARP1ALDH1A3IKBKBKDM4E
SCHEMBL5252915 0.82 ALDH1A3 (0.46) DHODHNR4A2DYRK1AALDH1A3ALDH1A2
SCHEMBL5074282 0.82 DHODH (0.52) DHODHPARP1DYRK1ACLK1ALDH1A3
SCHEMBL5073318 0.82 DHODH (0.82) DHODHPARP1DYRK1ACLK1ALDH1A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7041675-B2 Heterocyclic compounds and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 DHODH 4220/4885PARP1 1/4885NR4A2 2053/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885PARP1 1/4885NR4A2 678/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.